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1-(4-{Methyl[2-(phenylsulfinyl)phenyl]amino}phenyl)ethan-1-one
SpectraBase Compound ID DlS50Tuu7a4
InChI InChI=1S/C21H19NO2S/c1-16(23)17-12-14-18(15-13-17)22(2)20-10-6-7-11-21(20)25(24)19-8-4-3-5-9-19/h3-15H,1-2H3
InChIKey BQQUGICWHITHGK-UHFFFAOYSA-N
Mol Weight 349.45 g/mol
Molecular Formula C21H19NO2S
Exact Mass 349.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3u6D4Qc1GNi
Name 1-(4-{Methyl[2-(phenylsulfinyl)phenyl]amino}phenyl)ethan-1-one
Appearance Light yellow oil
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Exact Mass 349.113650028 u
Formula C21H19NO2S
InChI InChI=1S/C21H19NO2S/c1-16(23)17-12-14-18(15-13-17)22(2)20-10-6-7-11-21(20)25(24)19-8-4-3-5-9-19/h3-15H,1-2H3
InChIKey BQQUGICWHITHGK-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.3c00012
Molecular Weight 349.448 g/mol
Reported Formula C21H19O2NS
SMILES C1=CC(=C(C=C1)S(=O)C1=CC=CC=C1)N(C1=CC=C(C=C1)C(=O)C)C
SPLASH splash10-001i-0109000000-60af09b5710aa0f7363b
Source of Spectrum JOC-88-SM11-3fa (DOI: 10.1021/acs.joc.3c00012)
Wiley ID 1912690